2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone

C21H27NO2 — CID 138000821

IUPAC2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(c1cccc2c1CCC2)N1CC2(CCC2)C1C1CCOCC1
InChIInChI=1S/C21H27NO2/c23-20(18-7-2-5-15-4-1-6-17(15)18)22-14-21(10-3-11-21)19(22)16-8-12-24-13-9-16/h2,5,7,16,19H,1,3-4,6,8-14H2
InChIKeyKUZPDROJDUFIGA-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.60
Rot. Bonds2

About 2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone

2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 138000821) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID138000821
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(c1cccc2c1CCC2)N1CC2(CCC2)C1C1CCOCC1
InChIInChI=1S/C21H27NO2/c23-20(18-7-2-5-15-4-1-6-17(15)18)22-14-21(10-3-11-21)19(22)16-8-12-24-13-9-16/h2,5,7,16,19H,1,3-4,6,8-14H2
InChIKeyKUZPDROJDUFIGA-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone (CID 138000821) is 2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(c1cccc2c1CCC2)N1CC2(CCC2)C1C1CCOCC1.
What is the InChIKey of 2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is KUZPDROJDUFIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c23-20(18-7-2-5-15-4-1-6-17(15)18)22-14-21(10-3-11-21)19(22)16-8-12-24-13-9-16/h2,5,7,16,19H,1,3-4,6,8-14H2.
What are the key properties of 2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone?
2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 325.45 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-4-yl-[3-(oxan-4-yl)-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 138000821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).